5UWN
Matrix metalloproteinase-13 complexed with selective inhibitor compound 10d
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-11-14 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97918 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 131.727, 131.727, 418.722 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 95.800 - 3.200 |
R-factor | 0.1974 |
Rwork | 0.195 |
R-free | 0.23440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4l19 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.347 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 125.660 | 3.370 |
High resolution limit [Å] | 3.200 | 3.200 |
Rpim | 0.120 | 0.506 |
Number of reflections | 30172 | 4397 |
<I/σ(I)> | 7.6 | 1.9 |
Completeness [%] | 98.2 | 99.4 |
Redundancy | 5 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 0.1 M HEPES, 1.6 M ammonium sulfate |